UCSF

ZINC53428687

Substance Information

In ZINC since Heavy atoms Benign functionality
November 21st, 2010 20 Yes

Download: MOL2 SDF SMILES Flexibase

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.37 8.16 -30.63 2 3 1 26 283.48 10
Mid Mid (pH 6-8) 3.37 9.51 -111.48 3 3 2 30 284.488 10
Mid Mid (pH 6-8) 3.37 7.49 -36.64 2 3 1 29 283.48 10

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Analogs ( Draw Identity 99% 90% 80% 70% )

No pre-computed analogs available. Try a structural similarity search.